2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-N-(4-propan-2-ylphenyl)-1,2,3-triazol-4-imine

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-N-(4-propan-2-ylphenyl)-1,2,3-triazol-4-imine Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-N-(4-isopropylphenyl)-5-nitro-triazol-4-imine CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-(4-propan-2-ylphenyl)-4-triazolimine IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-(4-propan-2-ylphenyl)triazol-4-imine Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-p-cumenyl-amine Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5/c1-12(2)13-3-5-14(6-4-13)20-18-19(24(26)27)21-22(23(18)25)15-7-8-16-17(11-15)29-10-9-28-16/h3-8,11-12,25H,9-10H2,1-2H3